methyl 2-[4-[(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanoate Openeye Name: methyl 2-[4-[(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]acetate CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]acetate Traditional Name: 2-[4-(4-fluorobenzyl)piperazine-1,4-diium-1-yl]acetic acid methyl ester Formula: C14H21FN2O2+2 MolecularWeight: 268.327143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C14H19FN2O2/c1-19-14(18)11-17-8-6-16(7-9-17)10-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3/p+2